Ferric 6-methyl-2,4-heptanedionate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	3C8H13O2.Fe
Molecular Weight	479.408
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ferric 6-methyl-2,4-heptanedionate

Structure Search

SMILES

[Fe+3].CC(C)CC(=O)[CH-]C(C)=O.CC(C)CC(=O)[CH-]C(C)=O.CC(C)CC(=O)[CH-]C(C)=O

InChI

InChIKey=VWFDCYYALXNARZ-UHFFFAOYSA-N

InChI=1S/3C8H13O2.Fe/c3*1-6(2)4-8(10)5-7(3)9;/h3*5-6H,4H2,1-3H3;/q3*-1;+3

HIDE SMILES / InChI

Molecular Formula	C8H13O2
Molecular Weight	141.1876
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Fe
Molecular Weight	55.845
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:31:00 GMT 2025` Edited by `admin` on `Wed Apr 02 19:31:00 GMT 2025`
Record UNII	K88NBF37L8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-46469

Preferred Name

English

Ferric 6-methyl-2,4-heptanedionate

Common Name

English

Iron, tris(6-methyl-2,4-heptanedionato-O,O?)-

Common Name

English

Tris(6-methylheptane-2,4-dionato-O,O')iron

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

304-579-3

Created by admin on Wed Apr 02 19:31:00 GMT 2025 , Edited by admin on Wed Apr 02 19:31:00 GMT 2025

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EPA CompTox

DTXSID00915822

Created by admin on Wed Apr 02 19:31:00 GMT 2025 , Edited by admin on Wed Apr 02 19:31:00 GMT 2025

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NSC

46469

Created by admin on Wed Apr 02 19:31:00 GMT 2025 , Edited by admin on Wed Apr 02 19:31:00 GMT 2025

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FDA UNII

K88NBF37L8

Created by admin on Wed Apr 02 19:31:00 GMT 2025 , Edited by admin on Wed Apr 02 19:31:00 GMT 2025

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CAS

94276-94-5

Created by admin on Wed Apr 02 19:31:00 GMT 2025 , Edited by admin on Wed Apr 02 19:31:00 GMT 2025

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Related Record Type Details


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6-Methyl-2,4-heptanedione

PARENT -> SALT/SOLVATE

Amount: